5-[ethanoyl-[(4-octadecylphenyl)methyl]amino]-2-methylsulfanyl-benzoic acid

Systemtic Name: 5-[ethanoyl-[(4-octadecylphenyl)methyl]amino]-2-methylsulfanyl-benzoic acid Openeye Name: 5-[acetyl-[(4-octadecylphenyl)methyl]amino]-2-methylsulfanyl-benzoic acid CAS Name: 5-[acetyl-[(4-octadecylphenyl)methyl]amino]-2-(methylthio)benzoic acid IUPAC Name: 5-[acetyl-[(4-octadecylphenyl)methyl]amino]-2-methylsulfanylbenzoic acid Traditional Name: 5-[acetyl-(4-stearylbenzyl)amino]-2-(methylthio)benzoic acid Formula: C35H53NO3S MolecularWeight: 567.86522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)CN(C2=CC(=C(C=C2)SC)C(=O)O)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)CN(C2=CC(=C(C=C2)SC)C(=O)O)C(=O)C

InChI

InChI=1S/C35H53NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30-21-23-31(24-22-30)28-36(29(2)37)32-25-26-34(40-3)33(27-32)35(38)39/h21-27H,4-20,28H2,1-3H3,(H,38,39)